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. 2020 Jun 2;1219:128595. doi: 10.1016/j.molstruc.2020.128595

Table 1.

Docking scores and docked structures of the selected drugs used for screening with COVID-19 main protease (PDB ID: 6LU7).

Drugs which are docked with 6LU7 Docking Score Nearest residues Docked structure
Chloroquine −5.9 THR25, THR26, LEU27, HIS41, MET49, PHE140, LEU141, ASN142, GLY143, SER144, CYS145, MET165, HIS164, GLU166, GLN189 Image 1
Hydroxychloroquine −6.3 PHE140, LEU141, ASN142, GLY143, SER144, CYS145, HIS163, HIS164, MET165, GLU166, HIS172, ARG188, GLN189, THR190, GLN192 Image 2
Lamivudin −5.7 HIS41, MET49, PHE140, LEU141, ASN142, GLY143, SER144, CYS145, HIS163, HIS164, MET165, GLU166, HIS172 Image 3
Emtricitabine −5.8 HIS41, MET49, PHE140, LEU141, ASN142, GLY143, SER144, CYS145, HIS163, HIS164, MET165, GLU166, HIS172 Image 4